種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | O=S(=O)(N)c2ccc(NC(=O)Nc1c(F)c(F)c(F)c(F)c1F)cc2 |
SMILES_CANONICAL | CACTVS | 3.370 | N[S](=O)(=O)c1ccc(NC(=O)Nc2c(F)c(F)c(F)c(F)c2F)cc1 |
SMILES | CACTVS | 3.370 | N[S](=O)(=O)c1ccc(NC(=O)Nc2c(F)c(F)c(F)c(F)c2F)cc1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1cc(ccc1NC(=O)Nc2c(c(c(c(c2F)F)F)F)F)S(=O)(=O)N |
SMILES | OpenEye OEToolkits | 1.7.0 | c1cc(ccc1NC(=O)Nc2c(c(c(c(c2F)F)F)F)F)S(=O)(=O)N |
InChI | InChI | 1.03 | InChI=1S/C13H8F5N3O3S/c14-7-8(15)10(17)12(11(18)9(7)16)21-13(22)20-5-1-3-6(4-2-5)25(19,23)24/h1-4H,(H2,19,23,24)(H2,20,21,22) |
InChIKey | InChI | 1.03 | IOSBUNBTXXXMFG-UHFFFAOYSA-N |